methyl 2-(diphenylcarbamoyl)benzoate

C21H17NO3 — CID 785922

IUPACmethyl 2-(diphenylcarbamoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO3/c1-25-21(24)19-15-9-8-14-18(19)20(23)22(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyNCDKDDHKNSDPOA-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.45
Rot. Bonds4

About methyl 2-(diphenylcarbamoyl)benzoate

methyl 2-(diphenylcarbamoyl)benzoate (PubChem CID 785922) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 2-(diphenylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(diphenylcarbamoyl)benzoate
PubChem CID785922
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl 2-(diphenylcarbamoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO3/c1-25-21(24)19-15-9-8-14-18(19)20(23)22(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyNCDKDDHKNSDPOA-UHFFFAOYSA-N
XLogP4.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
dimethyl 2,5-bis(N-phenylanilino)benzene-1,4-dicarboxylate
CID 18332104
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
dimethyl 4,5-bis(N-phenylanilino)benzene-1,2-dicarboxylate
CID 102133313
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate
CID 5253310
methyl 2-(N-(2-chloroacetyl)anilino)pyridine-3-carboxylate
CID 14677650
methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512391
methyl 5-amino-2-(N-methylanilino)benzoate
CID 61312669
2-O-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505745
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diphenylcarbamoyl)benzoate?
The IUPAC name of methyl 2-(diphenylcarbamoyl)benzoate (CID 785922) is methyl 2-(diphenylcarbamoyl)benzoate.
What is the SMILES notation for methyl 2-(diphenylcarbamoyl)benzoate?
The canonical SMILES for methyl 2-(diphenylcarbamoyl)benzoate is COC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(diphenylcarbamoyl)benzoate?
The InChIKey is NCDKDDHKNSDPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-25-21(24)19-15-9-8-14-18(19)20(23)22(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3.
What are the key properties of methyl 2-(diphenylcarbamoyl)benzoate?
methyl 2-(diphenylcarbamoyl)benzoate has a molecular weight of 331.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diphenylcarbamoyl)benzoate is sourced from PubChem (CID 785922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).